SCHEMBL98206

SCHEMBL98206

NC(=O)CCCSCCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
LMNA P02545 5/20 0.55
KMT2A Q03164 3/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
BHMT Q93088 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.48
PTGS1 P23219 1/20 0.47
CYP1A2 P05177 2/20 0.46
THRB P10828 2/20 0.46
BLM P54132 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GABRR3 A8MPY1 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
HDAC3 O15379 1/20 0.46
GABBR2 O75899 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9263628 0.91 BHMT (0.61) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL756105 0.89 TSHR (0.71) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL3068716 0.89 TSHR (0.44) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL19838190 0.89 BHMT (0.61) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL31241576 0.87 TSHR (0.68) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL12132152 0.87 BHMT (0.62) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL6866613 0.84 LMNA (0.78) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL7758720 0.83 TSHR (0.58) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL1106829 0.82 LMNA (0.74) TSHRLMNAKMT2AHSD17B10TDP1
SCHEMBL2280524 0.81 LMNA (0.65) TSHRLMNAKMT2AHSD17B10TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637277-B2 Method for producing 3-mercaptopropionic acid or salt thereof MITSUI CHEMICALS, INC. (JP) 2014-01-28 US disclosed
EP-2426210-A1 PROCESS FOR PRODUCTION OF 3-MERCAPTOPROPIONIC ACID OR SALT THEREOF Mitsui Chemicals, Inc. (JP) 2012-03-07 EP disclosed
US-20120040418-A1 METHOD FOR PRODUCING 3-MERCAPTOPROPIONIC ACID OR SALT THEREOF MITSUI CHEMICALS INC. (JP) 2012-02-16 US disclosed